Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 2/20 | 0.34 |
| ▸ | HMGCR | P04035 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.32 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.31 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.31 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | PGD | P52209 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.30 |
| ▸ | CPT2 | P23786 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7920450 | 1.00 | ADRA1A (0.34) | ADRA1AHMGCRCHRM1TBXA2RCYP2D6 | |
| SCHEMBL9117622 | 0.79 | SLC22A6 (0.43) | ADRA1AHMGCRCHRM1TBXA2RCYP2D6 | |
| SCHEMBL6356991 | 0.68 | CACNA2D1 (0.36) | ADRA1AHMGCRCHRM1TBXA2RCYP2D6 | |
| SCHEMBL28551189 | 0.64 | SLC22A6 (0.43) | ADRA1AHMGCRCHRM1TBXA2RCYP2D6 | |
| SCHEMBL15905917 | 0.64 | ALDH1A1 (0.48) | TDP1 | |
| SCHEMBL17307614 | 0.64 | TDP1 (0.42) | ADRA1AHMGCRCHRM1TBXA2RCYP2D6 | |
| SCHEMBL17426712 | 0.64 | TDP1 (0.42) | ADRA1AHMGCRCHRM1TBXA2RCYP2D6 | |
| SCHEMBL23913764 | 0.62 | SLC22A6 (0.41) | ADRA1AHMGCRCHRM1TBXA2RCYP2D6 | |
| SCHEMBL667280 | 0.62 | PGD (0.50) | ADRA1AHMGCRCHRM1TBXA2RCYP2D6 | |
| SCHEMBL20711453 | 0.62 | SLC22A6 (0.41) | ADRA1AHMGCRCHRM1TBXA2RCYP2D6 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6177591-B1 | REACTING AN OPTICALLY ACTIVE 1-PHENYLETHYLAMINE WITH A RACEMIC DIHYDROCARBYLCARBOXYALKYLENE PHOSPHINE OXIDE; SEPARATING THE DIASTERIOMERIC SALTS USING THE DIFFERENCE IN SOLUBILITY IN A SOLVENT; DECOMPOSING THE SALT WITH AN ACID | NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) | 2001-01-23 | — | — | US | disclosed |